| MolName | N-[(Z)-3-(2-hydroxyethylamino)-1-(4-hydroxyphenyl)-3-oxoprop-1-en-2-yl]benzamide |
| MolecularFormula | C18H18N2O4 |
| Smiles | OCCNC(/C(/NC(c1ccccc1)=O)=C/c(cc1)ccc1O)=O |
| InChI | InChI=1S/C18H18N2O4/c21-11-10-19-18(24)16(12-13-6-8-15(22)9-7-13)20-17(23)14-4-2-1-3-5-14/h1-9,12,21-22H,10-11H2,(H,19,24)(H,20,23) |
| InChIK | OGBFVJUCYCSDCG-UHFFFAOYSA-N |
| TotalMolweight | 326.351 |
| Molweight | 326.351 |
| MonoisotopicMass | 326.126658 |
| CLogP | 1.849 |
| CLogS | -2.863 |
| H Acceptors | 6 |
| H Donors | 4 |
| TotalSurfaceArea | 256.37 |
| Relative PSA | 0.29333 |
| PolarSurfaceArea | 98.66 |
| Druglikeness | 3.461 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Amides | 2 |
| StereoCon |
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1 - N-[(Z)-3-(2-hydroxyethylamino)-1-(4-hydroxyphenyl)-3-oxoprop-1-en-2-yl]benzamide | 2 - N-[(Z)-3-(2-hydroxyethylamino)-1-(4-hydroxyphenyl)-3-oxoprop-1-en-2-yl]benzamide